* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    147    225     429
    1     0 S   NP   _N1_     1    29.54085    92.15571   -26.95265
    2     1 S   H    _HN1     2     1.03017   116.16718   -27.92131
    3     1 S   H    _H1_     3     1.02966    13.55630    21.86683
    4     1 S   H    _H2_     4     1.02776    94.87887  -140.78839
    5     1 S   CT   _CA1     5     1.50728   112.92623   102.67059
    6     5 S   HC   _HA1     6     1.09658   104.81989    49.85897
    7     5 S   CO3  _C1_     7     1.54390   110.58610   -66.21917
    8     7 S   O2Z  _O11     8     1.26023   116.72205  -118.17502
    9     7 S   O2Z  _O12     9     1.26530   113.86657    60.14477
   10     5 S   CT   _CB1    10     1.52942   106.68263   165.95075
   11    10 S   HC   HB11    11     1.09840   109.89278   -43.81057
   12    10 S   HC   HB12    12     1.09368   109.60574    72.51005
   13    10 S   CT   _CG1    13     1.53004   113.67807  -165.35304
   14    13 S   HC   HG11    14     1.09491   111.05206   -55.05395
   15    13 S   HC   HG12    15     1.09602   110.09139    64.39438
   16    13 S   C    _CD1    16     1.51915   111.27557  -175.59611
   17    16 S   O    _OE1    17     1.22800   123.13519    -8.99689
   18    16 S   N    _N2_    18     1.38492   112.24640   171.49345
   19    18 S   H    _HN2    19     1.01539   119.44546     4.91542
   20    18 S   CT1  _CA2    20     1.45753   122.28072  -178.86702
   21    20 S   HC   _HA2    21     1.09635   108.58101    28.53760
   22    20 S   C    _C2_    22     1.52957   107.23994   -88.23834
   23    22 S   O    _O2_    23     1.22995   122.98487   -26.91831
   24    20 S   CT   _CB2    32     1.53246   112.78736   151.64859
   25    24 S   HC   HB21    33     1.09666   109.75139    68.20403
   26    24 S   HC   HB22    34     1.09582   110.56547  -174.86241
   27    22 S   N    _N3_    24     1.38494   112.66594   155.81726
   28    27 S   H    _HN3    25     1.01679   120.41588    -2.30614
   29    24 S   S    _SG2    35     1.82729   115.11616   -51.55905
   30    27 S   CT   _CA3    26     1.45365   122.31579   178.75683
   31    30 S   HC   HA31    27     1.09578   107.78346   -56.24577
   32    30 S   HC   HA32    28     1.09573   107.59626    60.03969
   33    29 S   CT   _C20    36     1.82297   100.29782   -60.12536
   34    33 S   HC   _H17    37     1.09479   107.74303   -54.89492
   35    33 S   HC   _H18    38     1.09372   109.86085    60.59159
   36    30 S   CO3  _C3_    29     1.52861   114.46127  -178.15634
   37    36 S   O2Z  _O31    30     1.26305   116.09635     0.54894
   38    36 S   O2Z  _O32    31     1.26446   114.39529  -179.48871
   39    33 S   CT   _C19    39     1.54288   113.40653  -176.30838
   40    39 S   HC   _H5_    40     1.10053   109.31951    62.86933
   41    39 S   CT   _C18    41     1.55014   114.25320   -57.15721
   42    41 S   HC   _H4_    42     1.09611   108.42281    61.68593
   43    39 S   OS   _O35    79     1.43254   107.81737  -177.49142
   44    41 S   CT   _C17    43     1.54429   116.54003   -61.09326
   45    44 S   HC   _H3_    44     1.09386   109.90117    46.73697
   46    41 S   OH   _O38    77     1.43408   108.47635   174.68426
   47    46 S   HO   _H19    78     0.97328   106.88581  -177.63479
   48    43 S   PR   _P1_    80     1.61940   118.83429   -98.16929
   49    48 S   OM   _O37    81     1.64132    97.93975    90.40658
   50    48 S   OM   _O36    82     1.64121    97.45026  -170.66234
   51    44 S   CT   _C16    45     1.54198   115.26250   -80.61101
   52    51 S   HC   _H15    46     1.09150   113.24610    44.22540
   53    51 S   HC   _H16    47     1.09751   109.04366   -71.51650
   54    44 S   OH   _O39    75     1.43873   105.51345   160.72426
   55    54 S   HO   _H20    76     0.97623   107.59007  -165.88009
   56    51 S   NE   _N4_    48     1.47951   110.74100   168.54582
   57    56 S   CA   _C8_    49     1.41354   119.73510   -82.80650
   58    56 S   CDX  _C12    59     1.39258   120.59721    94.40799
   59    57 S   CA   _C9_    50     1.40608   123.95119    -3.87868
   60    59 S   HA   _H10    51     1.08525   120.59464    -0.09691
   61    58 S   NI   _N5_    60     1.30036   124.71101     7.12469
   62    59 S   CA   _C10    52     1.40725   122.55405   179.49876
   63    61 S   C    _C13    61     1.37580   123.50451  -178.75699
   64    63 S   O    _O33    62     1.23210   121.40879  -177.11751
   65    62 S   CA   _C5_    53     1.40202   119.33662     1.05165
   66    63 S   N    _N6_    63     1.38988   119.61066     3.15579
   67    66 S   H    _H14    64     1.01446   116.66267   177.06228
   68    62 S   CT   _C11    71     1.50458   119.07465  -179.02201
   69    68 S   HC   _H11    72     1.09470   110.35500   123.03810
   70    68 S   HC   _H12    73     1.09443   110.25432  -115.79562
   71    68 S   HC   _H13    74     1.09511   111.68976     3.87469
   72    65 S   CA   _C6_    54     1.39962   118.74385    -0.96225
   73    72 S   HA   _H9_    55     1.08876   119.59975  -178.85431
   74    82 S   C    _C14    65     1.49414   117.11646  -177.55351
   75    74 S   O    _O34    66     1.21952   120.71769     6.73348
   76    65 S   CT   _C4_    67     1.50220   121.68185  -179.62310
   77    76 S   HC   _H6_    68     1.09460   110.52300   -55.84694
   78    76 S   HC   _H7_    69     1.09459   110.20756    65.32286
   79    76 S   HC   _H8_    70     1.09525   111.54834  -175.05636
   80    57 S   CA   _C7_    56     1.40807   118.76096   176.02448
   81    80 S   NI   _N7_    57     1.40492   122.41256    -2.81265
   82    81 S   CD   _C15    58     1.29404   119.20973     2.53713
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  13   6  13   7   5  11   7   3   1   2
   1   1  11   5   4   2   1  12  12  10  11   4   7  12   6   3
  12   5   3   5   2   1   1   8   3   4   2   4   2   1   1   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    46    43    48  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    44    45    51    54    46    47    43    48    49    50  
   41    42    44    46    43    48  
   42    44    45    51    52    53    56    54    55    46    47    43    48  
   44    45    51    54    46    47    43  
   48    49    50    44    46  
   45    51    52    53    56    57    58    54    55    46    47  
   51    52    53    56    54    55    46  
   47    51    54  
    0  
   49    50  
   50  
    0  
   52    53    56    57    59    80    82    58    61    54    55  
   53    56    57    58    54  
   56    57    58    54  
   55    56  
    0  
   57    59    60    62    72    80    81    82    58    61    63    74  
   59    60    62    65    72    73    80    81    82    58    61    68  
   61    63    64    66    74    75    59    80    81    82  
   60    62    65    72    80    81    76    68    69    70    71  
   62    65    80    68  
   63    64    66    67    74    81    82  
   65    72    73    80    76    77    78    79    68    69    70    71  
   64    66    67    74    75    82  
   66    67    74  
   72    73    80    81    76    77    78    79    68    69    70    71  
   67    74    75    81    82  
   74    75    82  
   69    70    71    72    76  
   70    71  
   71  
    0  
   73    80    81    82    76    77    78    79  
   80    81    76  
   75    80    81    82  
   81    82  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -1.312500   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   49   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   50   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   51   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.2500   0.1700  -0.197700   1.9050   1.6860   0.051222218  -2.220205820
   57   3.5500   0.0700   0.100200   2.5000   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.334000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.753000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.2500   0.1700  -0.536200   1.8100   1.6000   0.054801302  -1.445846770
   67   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   76   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.078800   2.5000   1.7750   0.001000000  -0.843144165
   81   3.2800   0.1700  -0.468500   1.8540   1.6400   0.005000000   0.000000000
   82   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    44   268.000  1.529
   41    46   320.000  1.410
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    54   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   382.000  1.448
   56    57   481.000  1.340
   56    58   445.000  1.380
   57    59   469.000  1.400
   57    80   469.000  1.400
   59    60   367.000  1.080
   59    62   469.000  1.400
   62    65   469.000  1.400
   62    68   317.000  1.510
   65    72   469.000  1.400
   65    76   317.000  1.510
   72    73   367.000  1.080
   72    80   469.000  1.400
   80    81   400.000  1.385
   81    82   500.000  1.261
   82    58   270.000  1.479
   82    74   270.000  1.486
   58    61   650.000  1.285
   61    63   415.000  1.368
   63    64   570.000  1.229
   63    66   490.000  1.335
   66    67   434.000  1.010
   66    74   490.000  1.335
   74    75   570.000  1.229
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   54    55   553.000  0.945
   46    47   553.000  0.945
   43    48   325.000  1.672
   48    49   325.000  1.672
   48    50   325.000  1.672
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    44    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    43    48   100.00000  120.50000
   41    39    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    51    58.35000  112.70000
   41    44    54    50.00000  109.50000
   41    46    47    55.00000  108.50000
   44    41    42    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    56    80.00000  111.61500
   44    54    55    55.00000  108.50000
   51    44    45    37.50000  110.70000
   51    56    57    50.00000  120.00000
   51    56    58    50.00000  119.50000
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    35.00000  109.50000
   56    57    59    70.00000  120.10000
   56    57    80    70.00000  120.10000
   56    58    82    75.00000  117.28700
   56    58    61    75.00000  124.36500
   57    59    60    35.00000  120.00000
   57    59    62    63.00000  120.00000
   57    80    72    63.00000  120.00000
   57    80    81    70.00000  120.44500
   59    62    65    63.00000  120.00000
   59    62    68    70.00000  120.00000
   62    59    60    35.00000  120.00000
   62    65    72    63.00000  120.00000
   62    65    76    70.00000  120.00000
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    71    35.00000  109.50000
   65    72    73    35.00000  120.00000
   65    72    80    63.00000  120.00000
   65    76    77    35.00000  109.50000
   65    76    78    35.00000  109.50000
   65    76    79    35.00000  109.50000
   72    80    81    70.00000  120.44500
   80    57    59    63.00000  120.00000
   80    72    73    35.00000  120.00000
   80    81    82    70.00000  113.96500
   81    82    58    65.00000  122.46400
   81    82    74    65.00000  123.79500
   82    58    61    65.00000  122.46400
   82    74    66    75.00000  109.57000
   82    74    75    80.00000  120.45000
   58    56    57    50.00000  129.40000
   58    61    63    75.00000  109.13600
   61    63    64    80.00000  126.08800
   61    63    66    90.00000  112.94000
   63    66    67    35.00000  119.80000
   63    66    74    70.00000  121.37400
   66    63    64    80.00000  122.90000
   66    74    75    80.00000  122.90000
   74    82    58    70.00000  118.70000
   74    66    67    35.00000  119.80000
   76    65    72    70.00000  120.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   68    62    65    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   54    44    45    35.00000  109.50000
   54    44    51    50.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    44    50.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  109.50000
   43    48    49    45.00000  102.60000
   43    48    50    45.00000  102.60000
   50    48    49    35.00000   94.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    44   0.56750  1.0 1.0
   33    39    41    44  -0.07550 -1.0 2.0
   33    39    41    44   0.20000  1.0 3.0
   33    39    41    46   0.86500  1.0 1.0
   33    39    41    46  -0.17500 -1.0 2.0
   33    39    41    46   0.20800  1.0 3.0
   33    39    43    48  -2.65550  1.0 1.0
   33    39    43    48  -0.22350 -1.0 2.0
   33    39    43    48   0.24150  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    44    45   0.15000  1.0 3.0
   39    41    44    51   0.56750  1.0 1.0
   39    41    44    51  -0.07550 -1.0 2.0
   39    41    44    51   0.20000  1.0 3.0
   39    41    44    54   0.86500  1.0 1.0
   39    41    44    54  -0.17500 -1.0 2.0
   39    41    44    54   0.20800  1.0 3.0
   39    41    46    47  -0.11600  1.0 1.0
   39    41    46    47  -0.09450 -1.0 2.0
   39    41    46    47   0.21250  1.0 3.0
   39    43    48    49   0.05050  1.0 1.0
   39    43    48    49  -1.30700 -1.0 2.0
   39    43    48    49   0.91550  1.0 3.0
   39    43    48    50   0.05050  1.0 1.0
   39    43    48    50  -1.30700 -1.0 2.0
   39    43    48    50   0.91550  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    44   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    43    48   0.03000  1.0 3.0
   41    39    43    48  -2.65550  1.0 1.0
   41    39    43    48  -0.22350 -1.0 2.0
   41    39    43    48   0.24150  1.0 3.0
   41    44    51    52   0.15000  1.0 3.0
   41    44    51    53   0.15000  1.0 3.0
   41    44    51    56   1.26750  1.0 1.0
   41    44    51    56  -0.00950 -1.0 2.0
   41    44    51    56   0.30600  1.0 3.0
   41    44    54    55  -0.11600  1.0 1.0
   41    44    54    55  -0.09450 -1.0 2.0
   41    44    54    55   0.21250  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    51   0.15000  1.0 3.0
   42    41    44    54   0.23400  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   44    41    46    47  -0.11600  1.0 1.0
   44    41    46    47  -0.09450 -1.0 2.0
   44    41    46    47   0.21250  1.0 3.0
   44    51    56    57  -0.12500  1.0 1.0
   44    51    56    57  -0.12500 -1.0 2.0
   44    51    56    57   0.25000  1.0 3.0
   44    51    56    58   0.38950  1.0 1.0
   44    51    56    58  -0.47050 -1.0 2.0
   44    51    56    58   0.83150  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    56   0.22950  1.0 3.0
   45    44    54    55   0.19450  1.0 3.0
   51    44    54    55  -0.11600  1.0 1.0
   51    44    54    55  -0.09450 -1.0 2.0
   51    44    54    55   0.21250  1.0 3.0
   51    56    57    59  -1.00000  1.0 1.0
   51    56    57    59   1.25000 -1.0 2.0
   51    56    57    80  -1.00000  1.0 1.0
   51    56    57    80   1.25000 -1.0 2.0
   51    56    58    82  -0.54700  1.0 1.0
   51    56    58    82   1.23000 -1.0 2.0
   51    56    58    61  -0.86000  1.0 1.0
   51    56    58    61   0.84650 -1.0 2.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    58   0.00000  1.0 1.0
   53    51    56    57   0.00000  1.0 1.0
   53    51    56    58   0.00000  1.0 1.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    62   3.62500 -1.0 2.0
   56    57    80    72   3.62500 -1.0 2.0
   56    57    80    81   3.62500 -1.0 2.0
   56    58    61    63   6.00000 -1.0 2.0
   57    56    58    82  -0.54500  1.0 1.0
   57    56    58    82   1.14150 -1.0 2.0
   57    56    58    61  -1.45100  1.0 1.0
   57    56    58    61   1.83200 -1.0 2.0
   57    59    62    65   3.62500 -1.0 2.0
   57    59    62    68   3.62500 -1.0 2.0
   57    80   -81    82   1.25000 -1.0 2.0
   59    57    80    72   3.62500 -1.0 2.0
   59    57    80    81   3.62500 -1.0 2.0
   59    62   -65    72   3.62500 -1.0 2.0
   59    62    65    76   3.62500 -1.0 2.0
   59    62    68    69   0.00000  1.0 1.0
   59    62    68    70   0.00000  1.0 1.0
   59    62    68    71   0.00000  1.0 1.0
   60    59    62    65   3.62500 -1.0 2.0
   60    59    62    68   3.62500 -1.0 2.0
   62    65    72    73   3.62500 -1.0 2.0
   62    65    72    80   3.62500 -1.0 2.0
   62    65    76    77   0.00000  1.0 1.0
   62    65    76    78   0.00000  1.0 1.0
   62    65    76    79   0.00000  1.0 1.0
   65    62    68    69   0.00000  1.0 1.0
   65    62    68    70   0.00000  1.0 1.0
   65    62    68    71   0.00000  1.0 1.0
   65    72   -80    57   3.62500 -1.0 2.0
   65    72    80    81   3.62500 -1.0 2.0
   72    65    76    77   0.00000  1.0 1.0
   72    65    76    78   0.00000  1.0 1.0
   72    65    76    79   0.00000  1.0 1.0
   72    80    81    82   1.25000 -1.0 2.0
   73    72    80    57   3.62500 -1.0 2.0
   73    72    80    81   3.62500 -1.0 2.0
   80    57    59    60   3.62500 -1.0 2.0
   80    57   -59    62   3.62500 -1.0 2.0
   80    81    82    58   6.00000 -1.0 2.0
   80    81    82    74   6.00000 -1.0 2.0
   81    82   -58    56   7.00000 -1.0 2.0
   81    82    58    61   7.00000 -1.0 2.0
   81    82    74    66   1.50000 -1.0 2.0
   81    82    74    75   1.00000 -1.0 2.0
   82    58    61    63   6.00000 -1.0 2.0
   58    56    57    59  -0.02750  1.0 1.0
   58    56    57    59   0.06100 -1.0 2.0
   58    56   -57    80  -0.02750  1.0 1.0
   58    56   -57    80   0.06100 -1.0 2.0
   58    82    74    66   1.50000 -1.0 2.0
   58    82    74    75   1.00000 -1.0 2.0
   58    61    63    64   3.09300 -1.0 2.0
   58    61   -63    66  -5.73250  1.0 1.0
   58    61   -63    66   0.67550 -1.0 2.0
   61    63    66    67   2.56700 -1.0 2.0
   61    63    66    74   2.00000 -1.0 2.0
   63    66   -74    82   2.45000 -1.0 2.0
   63    66    74    75   2.22250 -1.0 2.0
   64    63    66    67   2.45000 -1.0 2.0
   64    63    66    74   2.22250 -1.0 2.0
   67    66    74    82   2.56700 -1.0 2.0
   67    66    74    75   2.45000 -1.0 2.0
   74    82    58    56   7.00000 -1.0 2.0
   74    82   -58    61   7.00000 -1.0 2.0
   76    65    72    73   3.62500 -1.0 2.0
   76    65    72    80   3.62500 -1.0 2.0
   68    62    65    72   3.62500 -1.0 2.0
   68    62    65    76   3.62500 -1.0 2.0
   54    44    51    52   0.23400  1.0 3.0
   54    44    51    53   0.23400  1.0 3.0
   54    44    51    56   4.07950  1.0 1.0
   54    44    51    56  -0.26450 -1.0 2.0
   54    44    51    56  -0.12150  1.0 3.0
   46    41    44    45   0.23400  1.0 3.0
   46    41    44    51   0.86500  1.0 1.0
   46    41    44    51  -0.17500 -1.0 2.0
   46    41    44    51   0.20800  1.0 3.0
   46    41    44    54   3.75450  1.0 1.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    44   0.62750  1.0 1.0
   43    39    41    44  -0.30950 -1.0 2.0
   43    39    41    44   0.27300  1.0 3.0
   43    39    41    46   3.69350  1.0 1.0
   43    39    41    46  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   57    58    56    51   1.00000 -1.0 2.0
   59    80    57    56   4.00000 -1.0 2.0
   62    60    59    57   1.10000 -1.0 2.0
   65    68    62    59   4.00000 -1.0 2.0
   72    76    65    62   4.00000 -1.0 2.0
   80    73    72    65   1.10000 -1.0 2.0
   72    81    80    57   4.00000 -1.0 2.0
   58    74    82    81  10.50000 -1.0 2.0
   56    82    58    61  10.50000 -1.0 2.0
   61    66    63    64  10.50000 -1.0 2.0
   67    63    66    74   1.00000 -1.0 2.0
   82    66    74    75  10.50000 -1.0 2.0
END
